1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide

C16H24N2O3S — CID 119324028

IUPAC1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)S(=O)(=O)Cc1cccc(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C16H24N2O3S/c1-12(2)22(20,21)11-13-6-5-7-14(10-13)18-15(19)16(17)8-3-4-9-16/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeyUKNRXHXTDQDLOI-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.22
Rot. Bonds5

About 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide

1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119324028) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID119324028
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)S(=O)(=O)Cc1cccc(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C16H24N2O3S/c1-12(2)22(20,21)11-13-6-5-7-14(10-13)18-15(19)16(17)8-3-4-9-16/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeyUKNRXHXTDQDLOI-UHFFFAOYSA-N
XLogP2.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306290
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119327475
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
1-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119306444
1-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883155
1-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119341523
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
methyl 2-[[3-[(1-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318856

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide (CID 119324028) is 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide is CC(C)S(=O)(=O)Cc1cccc(NC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is UKNRXHXTDQDLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)22(20,21)11-13-6-5-7-14(10-13)18-15(19)16(17)8-3-4-9-16/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119324028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).